CID 2414087

2-chloro-n-{[(2-methylphenyl)carbamoyl]methyl}-n-propylacetamide

Structural Information

Molecular Formula
C14H19ClN2O2
SMILES
CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)CCl
InChI
InChI=1S/C14H19ClN2O2/c1-3-8-17(14(19)9-15)10-13(18)16-12-7-5-4-6-11(12)2/h4-7H,3,8-10H2,1-2H3,(H,16,18)
InChIKey
IOXPLAHNJGONKH-UHFFFAOYSA-N
Compound name
2-[(2-chloroacetyl)-propylamino]-N-(2-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

282.1135 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.12078 166.6
[M+Na]+ 305.10272 172.1
[M-H]- 281.10622 171.0
[M+NH4]+ 300.14732 183.4
[M+K]+ 321.07666 169.1
[M+H-H2O]+ 265.11076 160.1
[M+HCOO]- 327.11170 186.4
[M+CH3COO]- 341.12735 207.2
[M+Na-2H]- 303.08817 168.2
[M]+ 282.11295 170.7
[M]- 282.11405 170.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.